Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UK39
UPID:
NOCT_HUMAN
Alternative names:
Carbon catabolite repression 4-like protein
Alternative UPACC:
Q9UK39; D3DNY5; Q14D51; Q9HD93; Q9HD94; Q9HD95
Background:
Nocturnin, also known as Carbon catabolite repression 4-like protein, plays a pivotal role in metabolic regulation. It catalyzes the conversion of NADP(+) to NAD(+) and NADPH to NADH, with a slight preference for NADPH. Beyond its enzymatic activity, Nocturnin exerts post-transcriptional control over metabolic genes, aligning their expression with circadian rhythms. This regulation is crucial for processes such as nutrient absorption, glucose sensitivity, and lipid metabolism. Additionally, Nocturnin influences the balance between adipogenesis and osteogenesis, favoring fat cell formation.
Therapeutic significance:
Understanding the role of Nocturnin could open doors to potential therapeutic strategies. Its involvement in circadian regulation of metabolism and the adipogenesis/osteogenesis balance makes it a promising target for treating metabolic disorders and bone density conditions.